SCHEMBL1680978

SCHEMBL1680978

C=CCOc1cc(F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.39
HTR2B P41595 6/20 0.39
HTR2A P28223 4/20 0.39
ADRB2 P07550 2/20 0.39
HTR1A P08908 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2A P08913 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
DRD4 P21917 2/20 0.39
HRH2 P25021 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
HTR6 P50406 2/20 0.39
KCNH2 Q12809 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1681560 0.82 HTR2C (0.36) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL31159776 0.79 KDM4E (0.41) MEN1KMT2ACTDSP1KDM4EGAA
SCHEMBL2062317 0.77 MEN1 (0.36) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL1681204 0.77 MEN1 (0.32) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8533282 0.77 HTR2C (0.40) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL391888 0.77 S1PR4 (0.39) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2062255 0.76 CYP3A4 (0.40) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL1681101 0.75 MAP2K1 (0.41)
SCHEMBL1681083 0.75 MAP2K1 (0.39) MEN1KMT2A
SCHEMBL11909148 0.75 PKM (0.42) MEN1KMT2ACTDSP1KDM4ETSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES Allostem Therapeutics LLC (US) 2012-08-22 EP disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 WO disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS MYLK2, MAPK1, MAP3K1 HTR2C 4702/4885HTR2B 4545/4885HTR2A 4337/4885
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES NRAS, BRAF, MAP3K20 HTR2C 4796/4885HTR2B 4225/4885HTR2A 4248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.